N-butyl-6-(4-chlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butyl-6-(4-chlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-6-(4-chlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-6-(4-chlorophenyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-6-(4-chlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-6-(4-chlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21ClN2OS MolecularWeight: 420.95434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)17-10-13-22-20(15-17)27-23(16-8-11-18(25)12-9-16)19-6-4-5-7-21(19)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)